2-[2,7-bis(oxidanylidene)azepan-1-yl]-6-fluoranyl-benzenecarbothioamide

Systemtic Name: 2-[2,7-bis(oxidanylidene)azepan-1-yl]-6-fluoranyl-benzenecarbothioamide Openeye Name: 2-(2,7-dioxoazepan-1-yl)-6-fluoro-benzenecarbothioamide CAS Name: 2-(2,7-dioxo-1-azepanyl)-6-fluorobenzenecarbothioamide IUPAC Name: 2-(2,7-dioxoazepan-1-yl)-6-fluorobenzenecarbothioamide Traditional Name: 2-(2,7-diketoazepan-1-yl)-6-fluoro-thiobenzamide Formula: C13H13FN2O2S MolecularWeight: 280.317923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C2=C(C(=CC=C2)F)C(=S)N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C2=C(C(=CC=C2)F)C(=S)N

InChI

InChI=1S/C13H13FN2O2S/c14-8-4-3-5-9(12(8)13(15)19)16-10(17)6-1-2-7-11(16)18/h3-5H,1-2,6-7H2,(H2,15,19)